CID 6932

88-32-4

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)(C)C1=C(C=CC(=C1)O)OC

InChI

InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3

InChIKey

IMOYOUMVYICGCA-UHFFFAOYSA-N

Compound name

3-tert-butyl-4-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 9790
Patents: 180.11504 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.12232	139.6
[M+Na]+	203.10426	152.2
[M+NH4]+	198.14886	147.9
[M+K]+	219.07820	146.6
[M-H]-	179.10776	141.0
[M+Na-2H]-	201.08971	145.9
[M]+	180.11449	141.9
[M]-	180.11559	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe